[5-(azepane-1-sulfonyl)-3-methyl-1-benzofuran-2-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
[5-(azepane-1-sulfonyl)-3-methyl-1-benzofuran-2-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
[5-(azepane-1-sulfonyl)-3-methyl-1-benzofuran-2-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
| Compound ID: | C153-0091 |
| Compound Name: | [5-(azepane-1-sulfonyl)-3-methyl-1-benzofuran-2-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C25 H28 N2 O4 S |
| Smiles: | Cc1c2cc(ccc2oc1C(N1CCc2ccccc2C1)=O)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9724 |
| logD: | 4.9724 |
| logSw: | -4.6383 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.117 |
| InChI Key: | FVDNMAPPDSKXKQ-UHFFFAOYSA-N |